Abstract
The structure of the title compound (23DMPBA), C15H14O2, resembles those of phenyl benzoate (PBA), 3-methylphenyl benzoate (3MePBA), 2,6-dichlorophenyl benzoate (26DCPBA) and other aryl benzoates, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings in 23DMPBA is 87.36 (6)°, compared with values of 55.7° in PBA, 79.61 (6)° in 3MePBA and 75.75 (10)° in 26DCPBA. The molecules in 23DMPBA are packed into a chain-like structure in the direction of the a axis.
Highlights
The structure of the title compound (23DMPBA), C15H14O2, resembles those of phenyl benzoate (PBA), 3-methylphenyl benzoate (3MePBA), 2,6-dichlorophenyl benzoate (26DCPBA) and other aryl benzoates, with similar bond parameters
H atoms treated by a mixture of independent and constrained refinement max = 0.17 e Å 3
H atoms treated by a mixture of independent and constrained refinement w = 1/[σ2(Fo2) + (0.0825P)2 + 1.2712P]
Summary
B. Thimme Gowda,a* Sabine Foro,b K. S. Babithaa and Hartmut Fuessb a Department of Chemistry, Mangalore University, Mangalagangotri 574 199, Mangalore, India, and bInstitute of Materials Science, Darmstadt University of Technology, Petersenstrasse 23, D-64287 Darmstadt, Germany
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